<s>
Amsterdam	B-Application
Density	I-Application
Functional	I-Application
(	O
ADF	O
)	O
is	O
a	O
program	O
for	O
first-principles	O
electronic	O
structure	O
calculations	O
that	O
makes	O
use	O
of	O
density	O
functional	O
theory	O
(	O
DFT	O
)	O
.	O
</s>
<s>
The	O
Amsterdam	O
Modeling	O
Suite	O
has	O
expanded	O
beyond	O
DFT	O
since	O
2010	O
,	O
with	O
the	O
semi-empirical	O
MOPAC	B-Application
code	O
,	O
the	O
Quantum_ESPRESSO	O
plane	O
wave	O
code	O
,	O
a	O
density-functional	O
based	O
tight	O
binding	O
(	O
DFTB	O
)	O
module	O
,	O
a	O
reactive	O
force	O
field	O
module	O
ReaxFF	B-Algorithm
,	O
and	O
an	O
implementation	O
of	O
Klamt	O
's	O
COSMO-RS	O
method	O
,	O
which	O
also	O
includes	O
COSMO-SAC	O
,	O
UNIFAC	O
,	O
and	O
QSPR	O
.	O
</s>
<s>
Various	O
molecular	O
properties	O
:	O
IR	O
,	O
Raman	B-Algorithm
,	O
VCD	O
,	O
UV	O
,	O
XAS	O
spectra	O
;	O
NMR	O
and	O
EPR	O
(	O
ESR	O
)	O
parameters	O
.	O
</s>
<s>
Solvent	O
and	O
environmental	O
effects	O
via	O
COSMO	O
,	O
QM/MM	B-Algorithm
,	O
DRF	O
,	O
subsystem	O
DFT	O
.	O
</s>
<s>
Integrated	O
graphical	B-Application
user	I-Application
interface	I-Application
(	O
GUI	B-Application
)	O
for	O
all	O
modules	O
to	O
set	O
up	O
calculations	O
and	O
visualize	O
the	O
results	O
.	O
</s>
